8QTU

Crystal structure of human Sirt2 in complex with the super-slow substrate TNFn-3 and NAD+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-22
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9677
Spacegroup name	P 1 21 1
Unit cell lengths	38.292, 74.689, 56.197
Unit cell angles	90.00, 97.66, 90.00

Refinement procedure

Resolution	37.950 - 1.800
R-factor	0.1854
Rwork	0.184
R-free	0.20670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.940
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.700	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.066	0.616
Rmeas	0.072	0.664
Rpim	0.027	0.247
Total number of observations	197457
Number of reflections	28715	1697
<I/σ(I)>	16.9	3.3
Completeness [%]	98.6
Redundancy	6.9	7.1
CC(1/2)	0.996	0.912

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	21.5 % (w/v) PEG 3,350 in 0.1 M Bis-Tris pH 6.25